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CHEBI:94777 - (3aR,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

ChEBI IDCHEBI:94777
ChEBI Name(3aR,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC23H30N4O2S
Net Charge0
Average Mass426.586
Monoisotopic Mass426.20895
SMILESO=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C23H30N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h3-4,9-10,17-18H,1-2,5-8,11-16H2/t17-,18+
InChIKeyFBVFZWUMDDXLLG-HDICACEKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(3aR,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CHEBI:94777) is a N-arylpiperazine (CHEBI:46848)
Synonyms  Source
SM 9018DrugCentral
SM-9018DrugCentral
perospirone hydrochloride hydrateDrugCentral
perospirone hydrochlorideDrugCentral
lullanDrugCentral
perospirone hydrochloride dihydrateDrugCentral
Manual XrefsDatabases
LSM-5912LINCS
2112DrugCentral
Registry NumbersSources
CAS:150915-41-6DrugCentral